Ac2ReB6Os
Alexandria ALEXAlex-ID: agm004929554 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
Ac(BOs)2 ReB AcB6 Ac
2022-07-17 21:18:07.398518
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004929554).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm004929554
data_agm004929554
_cell_length_a 5.98467
_cell_length_b 5.98463
_cell_length_c 6.00355
_cell_angle_alpha 59.93404
_cell_angle_beta 59.93372
_cell_angle_gamma 89.94504
_cell_volume 151.81307
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac1 Ac 0.75003 0.25002 0.49994 1.00000
Ac2 Ac 0.24997 0.74998 0.50006 1.00000
Re1 Re 1.00000 1.00000 0.00000 1.00000
B1 B 0.25096 0.25097 0.49832 1.00000
B2 B 0.74915 0.74916 0.00012 1.00000
B3 B 0.25087 0.74924 0.00001 1.00000
B4 B 0.74913 0.25076 0.99999 1.00000
B5 B 0.25085 0.25083 0.99988 1.00000
B6 B 0.74904 0.74903 0.50168 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
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